Basic information
- CAS
14447-01-9- Standard SMILES
C#CC(=O)OCc1ccccc1- InChIKey
KCSLTHXLCZSZLB-UHFFFAOYSA-N- Molecular formula
- C10H8O2
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.0524295
Names & identifiers
- Preferred name
- Benzyl propiolate
- IUPAC
- benzyl prop-2-ynoate
- English name
- 14447-01-9
- Molecular formula
- C10H8O2
- Molecular weight
- 160.17
Names & synonyms
Benzyl propiolate14447-01-9DTXSID80337487RefChem:118897DTXCID70288575805-211-9KCSLTHXLCZSZLB-UHFFFAOYSA-Nbenzyl prop-2-ynoate2-Propynoic acid, phenylmethyl esterMFCD119761282-Propynoic acid phenylmethyl esterpropynoic acid benzyl ester
Show more names
BenzylpropiolateAcetylenecarboxylic acid benzyl esterphenylmethyl prop-2-ynoatepropiolic acid benzyl esterSCHEMBL907611PAA44701AKOS027323020AS-30329
Database identifiers
- CAS
14447-01-9- PubChem CID
- 543064
- DTXSID
DTXSID80337487- EC Number
- 805-211-9
- Nikkaji
- J730.579F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 270.6 · 270.6±19.0 °C(Predicted)
- Density
- 1.123 · 1.123±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- liquid
- color
- Colourless to light yellow
- InChI
- InChI=1S/C10H8O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h1,3-7H,8H2
- InChIKey
- KCSLTHXLCZSZLB-UHFFFAOYSA-N
- SMILES
- C(OCC1=CC=CC=C1)(=O)C#C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2916199590 · 2916199590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2916199590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers39 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海马氏化学科技有限公司19916721580 · [email protected]
Related reactions
17 records
Compound notes
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